2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide

C139H157F3N46O13 — CID 157426987

About 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide

2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide (PubChem CID 157426987) has the molecular formula C139H157F3N46O13 and a molecular weight of 2737.09 g/mol. Its IUPAC name is 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide
• PubChem CID: 157426987
• Molecular Formula: C139H157F3N46O13
• Molecular Weight: 2737.09 g/mol
• Exact Mass: 2735.30
• IUPAC Name: 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide
• SMILES: CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccccc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCNCC2)n1.Cc1nc(Nc2ccccc2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N(C)C)n1
• InChI: InChI=1S/C28H29F3N8O2.C27H30N8O2.C23H30N8O3.C22H21N7O2.C21H26N8O2.C18H21N7O2/c1-4-22-33-25(37-27-32-16-21(41-27)24(40)35-23-17(2)7-5-8-18(23)3)36-26(34-22)39-13-11-38(12-14-39)20-10-6-9-19(15-20)28(29,30)31;1-4-22-29-25(32-26(30-22)35-15-13-34(14-16-35)20-11-6-5-7-12-20)33-27-28-17-21(37-27)24(36)31-23-18(2)9-8-10-19(23)3;1-4-18-25-21(28-22(26-18)31-10-8-30(9-11-31)12-13-32)29-23-24-14-17(34-23)20(33)27-19-15(2)6-5-7-16(19)3;1-13-8-7-9-14(2)18(13)27-19(30)17-12-23-22(31-17)29-21-25-15(3)24-20(28-21)26-16-10-5-4-6-11-16;1-4-16-24-19(27-20(25-16)29-10-8-22-9-11-29)28-21-23-12-15(31-21)18(30)26-17-13(2)6-5-7-14(17)3;1-10-7-6-8-11(2)14(10)22-15(26)13-9-19-18(27-13)24-16-20-12(3)21-17(23-16)25(4)5/h5-10,15-16H,4,11-14H2,1-3H3,(H,35,40)(H,32,33,34,36,37);5-12,17H,4,13-16H2,1-3H3,(H,31,36)(H,28,29,30,32,33);5-7,14,32H,4,8-13H2,1-3H3,(H,27,33)(H,24,25,26,28,29);4-12H,1-3H3,(H,27,30)(H2,23,24,25,26,28,29);5-7,12,22H,4,8-11H2,1-3H3,(H,26,30)(H,23,24,25,27,28);6-9H,1-5H3,(H,22,26)(H,19,20,21,23,24)
• InChIKey: BQBNVHIPGCFFLQ-UHFFFAOYSA-N
• XLogP: 21.71
• TPSA: 705.19 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 53
• Rotatable Bonds: 39
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2737.09
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide?

The IUPAC name of 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide (CID 157426987) is 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide.

What is the SMILES notation for 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide?

The canonical SMILES for 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide is CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccccc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCNCC2)n1.Cc1nc(Nc2ccccc2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N(C)C)n1.

What is the InChIKey of 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide?

The InChIKey is BQBNVHIPGCFFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N8O2.C27H30N8O2.C23H30N8O3.C22H21N7O2.C21H26N8O2.C18H21N7O2/c1-4-22-33-25(37-27-32-16-21(41-27)24(40)35-23-17(2)7-5-8-18(23)3)36-26(34-22)39-13-11-38(12-14-39)20-10-6-9-19(15-20)28(29,30)31;1-4-22-29-25(32-26(30-22)35-15-13-34(14-16-35)20-11-6-5-7-12-20)33-27-28-17-21(37-27)24(36)31-23-18(2)9-8-10-19(23)3;1-4-18-25-21(28-22(26-18)31-10-8-30(9-11-31)12-13-32)29-23-24-14-17(34-23)20(33)27-19-15(2)6-5-7-16(19)3;1-13-8-7-9-14(2)18(13)27-19(30)17-12-23-22(31-17)29-21-25-15(3)24-20(28-21)26-16-10-5-4-6-11-16;1-4-16-24-19(27-20(25-16)29-10-8-22-9-11-29)28-21-23-12-15(31-21)18(30)26-17-13(2)6-5-7-14(17)3;1-10-7-6-8-11(2)14(10)22-15(26)13-9-19-18(27-13)24-16-20-12(3)21-17(23-16)25(4)5/h5-10,15-16H,4,11-14H2,1-3H3,(H,35,40)(H,32,33,34,36,37);5-12,17H,4,13-16H2,1-3H3,(H,31,36)(H,28,29,30,32,33);5-7,14,32H,4,8-13H2,1-3H3,(H,27,33)(H,24,25,26,28,29);4-12H,1-3H3,(H,27,30)(H2,23,24,25,26,28,29);5-7,12,22H,4,8-11H2,1-3H3,(H,26,30)(H,23,24,25,27,28);6-9H,1-5H3,(H,22,26)(H,19,20,21,23,24).

What are the key properties of 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide?

2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide has a molecular weight of 2737.09 g/mol, XLogP of 21.71, 39 rotatable bonds, 15 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 157426987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).